USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 485 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -124:sc= -3.72! (180deg=-8.73!) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0554 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.7!) USER MOD Single : A 10 THR OG1 : rot -55:sc= 0.169 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.73 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 0:sc= 0.421 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc=-0.00561 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -61:sc= 0.125 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 66 ASN : amide:sc= -7.55! C(o=-7.6!,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.693 11.275 -1.357 1.00 0.00 N ATOM 2 CA MET A 1 12.274 9.893 -0.985 1.00 0.00 C ATOM 3 C MET A 1 11.475 9.258 -2.125 1.00 0.00 C ATOM 4 O MET A 1 11.221 9.878 -3.139 1.00 0.00 O ATOM 5 CB MET A 1 11.393 10.066 0.254 1.00 0.00 C ATOM 6 CG MET A 1 12.249 9.918 1.512 1.00 0.00 C ATOM 7 SD MET A 1 12.202 11.461 2.459 1.00 0.00 S ATOM 8 CE MET A 1 10.441 11.424 2.875 1.00 0.00 C ATOM 0 H1 MET A 1 12.534 11.914 -0.552 1.00 0.00 H new ATOM 0 H2 MET A 1 13.703 11.276 -1.606 1.00 0.00 H new ATOM 0 H3 MET A 1 12.135 11.599 -2.173 1.00 0.00 H new ATOM 0 HA MET A 1 13.126 9.241 -0.792 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.915 11.045 0.240 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.596 9.322 0.254 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.879 9.093 2.121 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.277 9.677 1.239 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.967 12.343 2.532 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.970 10.570 2.389 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.324 11.337 3.955 1.00 0.00 H new ATOM 20 N LYS A 2 11.075 8.027 -1.966 1.00 0.00 N ATOM 21 CA LYS A 2 10.289 7.354 -3.041 1.00 0.00 C ATOM 22 C LYS A 2 9.361 6.299 -2.436 1.00 0.00 C ATOM 23 O LYS A 2 9.478 5.943 -1.281 1.00 0.00 O ATOM 24 CB LYS A 2 11.328 6.689 -3.944 1.00 0.00 C ATOM 25 CG LYS A 2 12.222 7.758 -4.578 1.00 0.00 C ATOM 26 CD LYS A 2 12.804 7.222 -5.888 1.00 0.00 C ATOM 27 CE LYS A 2 13.755 8.260 -6.489 1.00 0.00 C ATOM 28 NZ LYS A 2 14.219 7.657 -7.770 1.00 0.00 N ATOM 0 H LYS A 2 11.257 7.457 -1.140 1.00 0.00 H new ATOM 0 HA LYS A 2 9.663 8.057 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.934 5.992 -3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.830 6.110 -4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.646 8.664 -4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.026 8.028 -3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.336 6.288 -5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.001 7.000 -6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.247 9.209 -6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.592 8.462 -5.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.876 8.310 -8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.704 6.758 -7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.401 7.482 -8.388 1.00 0.00 H new ATOM 42 N CYS A 3 8.445 5.795 -3.213 1.00 0.00 N ATOM 43 CA CYS A 3 7.508 4.760 -2.690 1.00 0.00 C ATOM 44 C CYS A 3 7.407 3.602 -3.684 1.00 0.00 C ATOM 45 O CYS A 3 6.834 3.734 -4.747 1.00 0.00 O ATOM 46 CB CYS A 3 6.163 5.479 -2.559 1.00 0.00 C ATOM 47 SG CYS A 3 4.900 4.311 -1.996 1.00 0.00 S ATOM 0 H CYS A 3 8.303 6.055 -4.189 1.00 0.00 H new ATOM 0 HA CYS A 3 7.836 4.338 -1.740 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.249 6.305 -1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.874 5.908 -3.518 1.00 0.00 H new ATOM 52 N LYS A 4 7.963 2.469 -3.349 1.00 0.00 N ATOM 53 CA LYS A 4 7.907 1.304 -4.280 1.00 0.00 C ATOM 54 C LYS A 4 6.541 0.619 -4.200 1.00 0.00 C ATOM 55 O LYS A 4 6.125 0.158 -3.156 1.00 0.00 O ATOM 56 CB LYS A 4 9.010 0.360 -3.797 1.00 0.00 C ATOM 57 CG LYS A 4 8.632 -0.215 -2.429 1.00 0.00 C ATOM 58 CD LYS A 4 9.838 -0.938 -1.828 1.00 0.00 C ATOM 59 CE LYS A 4 10.118 -0.389 -0.427 1.00 0.00 C ATOM 60 NZ LYS A 4 10.207 -1.593 0.446 1.00 0.00 N ATOM 0 H LYS A 4 8.454 2.299 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 4 8.048 1.602 -5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.152 -0.447 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.957 0.896 -3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.306 0.585 -1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.795 -0.905 -2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.645 -2.010 -1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.712 -0.801 -2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.045 0.184 -0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.322 0.279 -0.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.398 -1.299 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.308 -2.115 0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.977 -2.207 0.113 1.00 0.00 H new ATOM 74 N ILE A 5 5.839 0.549 -5.300 1.00 0.00 N ATOM 75 CA ILE A 5 4.499 -0.107 -5.288 1.00 0.00 C ATOM 76 C ILE A 5 4.605 -1.539 -5.824 1.00 0.00 C ATOM 77 O ILE A 5 5.212 -1.786 -6.850 1.00 0.00 O ATOM 78 CB ILE A 5 3.631 0.749 -6.211 1.00 0.00 C ATOM 79 CG1 ILE A 5 3.714 2.215 -5.775 1.00 0.00 C ATOM 80 CG2 ILE A 5 2.179 0.277 -6.129 1.00 0.00 C ATOM 81 CD1 ILE A 5 2.908 3.083 -6.745 1.00 0.00 C ATOM 0 H ILE A 5 6.135 0.917 -6.204 1.00 0.00 H new ATOM 0 HA ILE A 5 4.081 -0.175 -4.283 1.00 0.00 H new ATOM 0 HB ILE A 5 3.988 0.653 -7.236 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.326 2.327 -4.762 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.754 2.542 -5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.560 0.887 -6.787 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.118 -0.766 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.822 0.373 -5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.967 4.126 -6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.316 2.980 -7.751 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.866 2.762 -6.741 1.00 0.00 H new ATOM 93 N CYS A 6 4.019 -2.482 -5.135 1.00 0.00 N ATOM 94 CA CYS A 6 4.080 -3.899 -5.599 1.00 0.00 C ATOM 95 C CYS A 6 2.961 -4.717 -4.945 1.00 0.00 C ATOM 96 O CYS A 6 2.254 -4.239 -4.081 1.00 0.00 O ATOM 97 CB CYS A 6 5.447 -4.410 -5.147 1.00 0.00 C ATOM 98 SG CYS A 6 6.472 -4.759 -6.598 1.00 0.00 S ATOM 0 H CYS A 6 3.500 -2.332 -4.270 1.00 0.00 H new ATOM 0 HA CYS A 6 3.951 -3.984 -6.678 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.934 -3.667 -4.515 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.329 -5.312 -4.546 1.00 0.00 H new ATOM 103 N ASN A 7 2.798 -5.948 -5.350 1.00 0.00 N ATOM 104 CA ASN A 7 1.726 -6.796 -4.752 1.00 0.00 C ATOM 105 C ASN A 7 2.200 -7.398 -3.425 1.00 0.00 C ATOM 106 O ASN A 7 1.537 -8.230 -2.842 1.00 0.00 O ATOM 107 CB ASN A 7 1.473 -7.898 -5.782 1.00 0.00 C ATOM 108 CG ASN A 7 0.000 -7.886 -6.194 1.00 0.00 C ATOM 109 OD1 ASN A 7 -0.640 -6.854 -6.174 1.00 0.00 O ATOM 110 ND2 ASN A 7 -0.570 -9.000 -6.568 1.00 0.00 N ATOM 0 H ASN A 7 3.361 -6.403 -6.069 1.00 0.00 H new ATOM 0 HA ASN A 7 0.823 -6.225 -4.534 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.107 -7.746 -6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.736 -8.869 -5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.552 -9.003 -6.843 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.033 -9.867 -6.585 1.00 0.00 H new ATOM 117 N PHE A 8 3.339 -6.978 -2.944 1.00 0.00 N ATOM 118 CA PHE A 8 3.859 -7.518 -1.650 1.00 0.00 C ATOM 119 C PHE A 8 3.928 -9.049 -1.688 1.00 0.00 C ATOM 120 O PHE A 8 3.185 -9.701 -2.392 1.00 0.00 O ATOM 121 CB PHE A 8 2.858 -7.052 -0.594 1.00 0.00 C ATOM 122 CG PHE A 8 3.592 -6.322 0.505 1.00 0.00 C ATOM 123 CD1 PHE A 8 3.940 -4.975 0.340 1.00 0.00 C ATOM 124 CD2 PHE A 8 3.927 -6.991 1.689 1.00 0.00 C ATOM 125 CE1 PHE A 8 4.623 -4.299 1.359 1.00 0.00 C ATOM 126 CE2 PHE A 8 4.611 -6.316 2.707 1.00 0.00 C ATOM 127 CZ PHE A 8 4.959 -4.970 2.542 1.00 0.00 C ATOM 0 H PHE A 8 3.935 -6.282 -3.391 1.00 0.00 H new ATOM 0 HA PHE A 8 4.869 -7.167 -1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.114 -6.397 -1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.322 -7.907 -0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.682 -4.458 -0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.657 -8.029 1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 8 4.891 -3.260 1.233 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.870 -6.833 3.619 1.00 0.00 H new ATOM 0 HZ PHE A 8 5.487 -4.449 3.327 1.00 0.00 H new ATOM 137 N ASP A 9 4.823 -9.631 -0.940 1.00 0.00 N ATOM 138 CA ASP A 9 4.949 -11.124 -0.930 1.00 0.00 C ATOM 139 C ASP A 9 5.548 -11.640 -2.247 1.00 0.00 C ATOM 140 O ASP A 9 6.388 -12.518 -2.246 1.00 0.00 O ATOM 141 CB ASP A 9 3.521 -11.645 -0.751 1.00 0.00 C ATOM 142 CG ASP A 9 3.501 -12.718 0.339 1.00 0.00 C ATOM 143 OD1 ASP A 9 4.096 -12.488 1.380 1.00 0.00 O ATOM 144 OD2 ASP A 9 2.891 -13.750 0.117 1.00 0.00 O ATOM 0 H ASP A 9 5.477 -9.139 -0.331 1.00 0.00 H new ATOM 0 HA ASP A 9 5.615 -11.464 -0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.855 -10.825 -0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.153 -12.059 -1.690 1.00 0.00 H new ATOM 149 N THR A 10 5.136 -11.109 -3.371 1.00 0.00 N ATOM 150 CA THR A 10 5.703 -11.586 -4.665 1.00 0.00 C ATOM 151 C THR A 10 5.975 -10.395 -5.587 1.00 0.00 C ATOM 152 O THR A 10 5.753 -10.457 -6.780 1.00 0.00 O ATOM 153 CB THR A 10 4.627 -12.494 -5.262 1.00 0.00 C ATOM 154 OG1 THR A 10 5.180 -13.230 -6.345 1.00 0.00 O ATOM 155 CG2 THR A 10 3.462 -11.642 -5.765 1.00 0.00 C ATOM 0 H THR A 10 4.436 -10.371 -3.447 1.00 0.00 H new ATOM 0 HA THR A 10 6.649 -12.112 -4.535 1.00 0.00 H new ATOM 0 HB THR A 10 4.267 -13.184 -4.499 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.574 -12.611 -6.994 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.695 -12.289 -6.191 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.040 -11.076 -4.934 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.819 -10.952 -6.529 1.00 0.00 H new ATOM 163 N CYS A 11 6.450 -9.310 -5.039 1.00 0.00 N ATOM 164 CA CYS A 11 6.733 -8.112 -5.880 1.00 0.00 C ATOM 165 C CYS A 11 7.552 -7.090 -5.085 1.00 0.00 C ATOM 166 O CYS A 11 7.195 -6.716 -3.985 1.00 0.00 O ATOM 167 CB CYS A 11 5.357 -7.544 -6.226 1.00 0.00 C ATOM 168 SG CYS A 11 5.528 -6.289 -7.518 1.00 0.00 S ATOM 0 H CYS A 11 6.654 -9.201 -4.046 1.00 0.00 H new ATOM 0 HA CYS A 11 7.311 -8.357 -6.771 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.697 -8.343 -6.565 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.899 -7.107 -5.339 1.00 0.00 H new ATOM 173 N ARG A 12 8.647 -6.637 -5.632 1.00 0.00 N ATOM 174 CA ARG A 12 9.487 -5.641 -4.905 1.00 0.00 C ATOM 175 C ARG A 12 9.336 -4.257 -5.539 1.00 0.00 C ATOM 176 O ARG A 12 8.457 -3.494 -5.186 1.00 0.00 O ATOM 177 CB ARG A 12 10.922 -6.150 -5.050 1.00 0.00 C ATOM 178 CG ARG A 12 11.246 -7.096 -3.893 1.00 0.00 C ATOM 179 CD ARG A 12 11.931 -6.315 -2.769 1.00 0.00 C ATOM 180 NE ARG A 12 13.322 -6.085 -3.251 1.00 0.00 N ATOM 181 CZ ARG A 12 14.333 -6.312 -2.458 1.00 0.00 C ATOM 182 NH1 ARG A 12 14.312 -5.868 -1.231 1.00 0.00 N ATOM 183 NH2 ARG A 12 15.365 -6.984 -2.891 1.00 0.00 N ATOM 0 H ARG A 12 8.997 -6.913 -6.550 1.00 0.00 H new ATOM 0 HA ARG A 12 9.197 -5.541 -3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.041 -6.668 -6.002 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.618 -5.311 -5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.332 -7.560 -3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.895 -7.901 -4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.420 -5.372 -2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.925 -6.879 -1.836 1.00 0.00 H new ATOM 0 HE ARG A 12 13.484 -5.750 -4.201 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.505 -5.344 -0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.102 -6.045 -0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.381 -7.332 -3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.155 -7.161 -2.271 1.00 0.00 H new ATOM 197 N ALA A 13 10.185 -3.926 -6.469 1.00 0.00 N ATOM 198 CA ALA A 13 10.092 -2.589 -7.126 1.00 0.00 C ATOM 199 C ALA A 13 9.395 -2.714 -8.481 1.00 0.00 C ATOM 200 O ALA A 13 10.028 -2.730 -9.518 1.00 0.00 O ATOM 201 CB ALA A 13 11.541 -2.135 -7.306 1.00 0.00 C ATOM 0 H ALA A 13 10.941 -4.522 -6.805 1.00 0.00 H new ATOM 0 HA ALA A 13 9.513 -1.878 -6.537 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.559 -1.156 -7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.026 -2.072 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.073 -2.854 -7.930 1.00 0.00 H new ATOM 207 N GLY A 14 8.094 -2.801 -8.482 1.00 0.00 N ATOM 208 CA GLY A 14 7.356 -2.922 -9.770 1.00 0.00 C ATOM 209 C GLY A 14 6.850 -1.542 -10.188 1.00 0.00 C ATOM 210 O GLY A 14 6.847 -1.198 -11.353 1.00 0.00 O ATOM 0 H GLY A 14 7.510 -2.794 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.009 -3.332 -10.540 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.519 -3.612 -9.661 1.00 0.00 H new ATOM 214 N GLU A 15 6.425 -0.749 -9.245 1.00 0.00 N ATOM 215 CA GLU A 15 5.923 0.613 -9.585 1.00 0.00 C ATOM 216 C GLU A 15 6.324 1.605 -8.492 1.00 0.00 C ATOM 217 O GLU A 15 5.513 2.019 -7.687 1.00 0.00 O ATOM 218 CB GLU A 15 4.402 0.472 -9.654 1.00 0.00 C ATOM 219 CG GLU A 15 3.971 0.275 -11.109 1.00 0.00 C ATOM 220 CD GLU A 15 3.400 -1.133 -11.287 1.00 0.00 C ATOM 221 OE1 GLU A 15 3.674 -1.974 -10.447 1.00 0.00 O ATOM 222 OE2 GLU A 15 2.696 -1.346 -12.261 1.00 0.00 O ATOM 0 H GLU A 15 6.403 -0.984 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 15 6.336 0.986 -10.522 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.077 -0.375 -9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.925 1.360 -9.240 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.223 1.019 -11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.822 0.420 -11.774 1.00 0.00 H new ATOM 229 N LEU A 16 7.572 1.989 -8.452 1.00 0.00 N ATOM 230 CA LEU A 16 8.018 2.951 -7.406 1.00 0.00 C ATOM 231 C LEU A 16 7.907 4.388 -7.921 1.00 0.00 C ATOM 232 O LEU A 16 8.126 4.661 -9.084 1.00 0.00 O ATOM 233 CB LEU A 16 9.478 2.590 -7.124 1.00 0.00 C ATOM 234 CG LEU A 16 10.124 3.691 -6.280 1.00 0.00 C ATOM 235 CD1 LEU A 16 10.727 3.079 -5.015 1.00 0.00 C ATOM 236 CD2 LEU A 16 11.228 4.374 -7.092 1.00 0.00 C ATOM 0 H LEU A 16 8.299 1.679 -9.097 1.00 0.00 H new ATOM 0 HA LEU A 16 7.405 2.891 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.533 1.636 -6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.021 2.470 -8.061 1.00 0.00 H new ATOM 0 HG LEU A 16 9.368 4.426 -6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.187 3.864 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.942 2.592 -4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.483 2.344 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.689 5.158 -6.492 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.983 3.639 -7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.799 4.812 -7.993 1.00 0.00 H new ATOM 248 N LYS A 17 7.569 5.307 -7.059 1.00 0.00 N ATOM 249 CA LYS A 17 7.442 6.726 -7.486 1.00 0.00 C ATOM 250 C LYS A 17 7.919 7.647 -6.360 1.00 0.00 C ATOM 251 O LYS A 17 8.814 7.308 -5.611 1.00 0.00 O ATOM 252 CB LYS A 17 5.950 6.924 -7.758 1.00 0.00 C ATOM 253 CG LYS A 17 5.760 7.542 -9.145 1.00 0.00 C ATOM 254 CD LYS A 17 4.566 8.498 -9.121 1.00 0.00 C ATOM 255 CE LYS A 17 3.368 7.804 -8.468 1.00 0.00 C ATOM 256 NZ LYS A 17 2.175 8.542 -8.970 1.00 0.00 N ATOM 0 H LYS A 17 7.375 5.134 -6.073 1.00 0.00 H new ATOM 0 HA LYS A 17 8.044 6.958 -8.365 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.429 5.968 -7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.514 7.571 -6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.662 8.077 -9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.596 6.758 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.822 9.402 -8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.313 8.806 -10.136 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.325 6.750 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.431 7.848 -7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.313 8.124 -8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.241 9.541 -8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.138 8.477 -10.007 1.00 0.00 H new ATOM 270 N VAL A 18 7.339 8.807 -6.234 1.00 0.00 N ATOM 271 CA VAL A 18 7.772 9.738 -5.157 1.00 0.00 C ATOM 272 C VAL A 18 6.567 10.193 -4.328 1.00 0.00 C ATOM 273 O VAL A 18 5.537 10.557 -4.861 1.00 0.00 O ATOM 274 CB VAL A 18 8.396 10.918 -5.897 1.00 0.00 C ATOM 275 CG1 VAL A 18 9.762 10.505 -6.448 1.00 0.00 C ATOM 276 CG2 VAL A 18 7.483 11.331 -7.055 1.00 0.00 C ATOM 0 H VAL A 18 6.585 9.150 -6.829 1.00 0.00 H new ATOM 0 HA VAL A 18 8.470 9.274 -4.460 1.00 0.00 H new ATOM 0 HB VAL A 18 8.518 11.757 -5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.210 11.346 -6.977 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.411 10.207 -5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.639 9.668 -7.135 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.926 12.174 -7.585 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.364 10.493 -7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.508 11.621 -6.664 1.00 0.00 H new ATOM 286 N CYS A 19 6.689 10.176 -3.028 1.00 0.00 N ATOM 287 CA CYS A 19 5.551 10.606 -2.165 1.00 0.00 C ATOM 288 C CYS A 19 6.074 11.244 -0.875 1.00 0.00 C ATOM 289 O CYS A 19 7.262 11.431 -0.701 1.00 0.00 O ATOM 290 CB CYS A 19 4.780 9.323 -1.855 1.00 0.00 C ATOM 291 SG CYS A 19 3.018 9.701 -1.695 1.00 0.00 S ATOM 0 H CYS A 19 7.527 9.883 -2.526 1.00 0.00 H new ATOM 0 HA CYS A 19 4.923 11.351 -2.654 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.935 8.592 -2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.152 8.876 -0.933 1.00 0.00 H new ATOM 296 N ALA A 20 5.196 11.577 0.031 1.00 0.00 N ATOM 297 CA ALA A 20 5.641 12.201 1.311 1.00 0.00 C ATOM 298 C ALA A 20 6.554 13.397 1.027 1.00 0.00 C ATOM 299 O ALA A 20 7.412 13.737 1.817 1.00 0.00 O ATOM 300 CB ALA A 20 6.408 11.100 2.043 1.00 0.00 C ATOM 0 H ALA A 20 4.189 11.444 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 20 4.805 12.575 1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.770 11.482 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.747 10.251 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.255 10.781 1.436 1.00 0.00 H new ATOM 306 N SER A 21 6.375 14.040 -0.095 1.00 0.00 N ATOM 307 CA SER A 21 7.233 15.214 -0.427 1.00 0.00 C ATOM 308 C SER A 21 6.451 16.513 -0.214 1.00 0.00 C ATOM 309 O SER A 21 6.987 17.504 0.241 1.00 0.00 O ATOM 310 CB SER A 21 7.590 15.038 -1.901 1.00 0.00 C ATOM 311 OG SER A 21 8.823 15.695 -2.168 1.00 0.00 O ATOM 0 H SER A 21 5.672 13.804 -0.796 1.00 0.00 H new ATOM 0 HA SER A 21 8.121 15.270 0.202 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.669 13.978 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.801 15.451 -2.530 1.00 0.00 H new ATOM 0 HG SER A 21 9.056 15.582 -3.113 1.00 0.00 H new ATOM 317 N GLY A 22 5.187 16.516 -0.538 1.00 0.00 N ATOM 318 CA GLY A 22 4.372 17.749 -0.353 1.00 0.00 C ATOM 319 C GLY A 22 3.184 17.443 0.559 1.00 0.00 C ATOM 320 O GLY A 22 3.303 17.435 1.768 1.00 0.00 O ATOM 0 H GLY A 22 4.683 15.717 -0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.983 18.540 0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.019 18.113 -1.318 1.00 0.00 H new ATOM 324 N GLU A 23 2.035 17.190 -0.009 1.00 0.00 N ATOM 325 CA GLU A 23 0.840 16.884 0.828 1.00 0.00 C ATOM 326 C GLU A 23 0.228 15.544 0.406 1.00 0.00 C ATOM 327 O GLU A 23 -0.923 15.469 0.025 1.00 0.00 O ATOM 328 CB GLU A 23 -0.137 18.030 0.559 1.00 0.00 C ATOM 329 CG GLU A 23 -0.455 18.747 1.873 1.00 0.00 C ATOM 330 CD GLU A 23 -1.969 18.921 2.006 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.688 18.041 1.561 1.00 0.00 O ATOM 332 OE2 GLU A 23 -2.385 19.930 2.551 1.00 0.00 O ATOM 0 H GLU A 23 1.873 17.182 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 23 1.087 16.800 1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.295 18.731 -0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.053 17.644 0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.069 18.173 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.037 19.719 1.897 1.00 0.00 H new ATOM 339 N LYS A 24 0.991 14.487 0.473 1.00 0.00 N ATOM 340 CA LYS A 24 0.454 13.154 0.077 1.00 0.00 C ATOM 341 C LYS A 24 1.303 12.037 0.692 1.00 0.00 C ATOM 342 O LYS A 24 2.389 12.269 1.185 1.00 0.00 O ATOM 343 CB LYS A 24 0.551 13.124 -1.448 1.00 0.00 C ATOM 344 CG LYS A 24 1.937 13.600 -1.883 1.00 0.00 C ATOM 345 CD LYS A 24 2.091 13.416 -3.393 1.00 0.00 C ATOM 346 CE LYS A 24 2.415 14.763 -4.042 1.00 0.00 C ATOM 347 NZ LYS A 24 3.240 14.426 -5.236 1.00 0.00 N ATOM 0 H LYS A 24 1.962 14.489 0.785 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.568 13.002 0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.371 12.113 -1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.217 13.762 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.072 14.649 -1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.708 13.037 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.885 12.699 -3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.173 13.008 -3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.506 15.293 -4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.960 15.411 -3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.502 15.300 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.102 13.928 -4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.693 13.814 -5.874 1.00 0.00 H new ATOM 361 N TYR A 25 0.815 10.826 0.669 1.00 0.00 N ATOM 362 CA TYR A 25 1.594 9.696 1.255 1.00 0.00 C ATOM 363 C TYR A 25 1.240 8.383 0.550 1.00 0.00 C ATOM 364 O TYR A 25 0.431 8.353 -0.355 1.00 0.00 O ATOM 365 CB TYR A 25 1.178 9.645 2.728 1.00 0.00 C ATOM 366 CG TYR A 25 -0.318 9.821 2.847 1.00 0.00 C ATOM 367 CD1 TYR A 25 -1.185 8.904 2.239 1.00 0.00 C ATOM 368 CD2 TYR A 25 -0.839 10.901 3.571 1.00 0.00 C ATOM 369 CE1 TYR A 25 -2.571 9.068 2.353 1.00 0.00 C ATOM 370 CE2 TYR A 25 -2.225 11.064 3.685 1.00 0.00 C ATOM 371 CZ TYR A 25 -3.091 10.147 3.077 1.00 0.00 C ATOM 372 OH TYR A 25 -4.457 10.309 3.190 1.00 0.00 O ATOM 0 H TYR A 25 -0.088 10.570 0.270 1.00 0.00 H new ATOM 0 HA TYR A 25 2.669 9.836 1.141 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.477 8.693 3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.691 10.428 3.287 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.784 8.070 1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.172 11.608 4.041 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.239 8.362 1.882 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.626 11.898 4.242 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.649 11.107 3.725 1.00 0.00 H new ATOM 382 N CYS A 26 1.841 7.295 0.958 1.00 0.00 N ATOM 383 CA CYS A 26 1.533 5.987 0.308 1.00 0.00 C ATOM 384 C CYS A 26 0.724 5.102 1.260 1.00 0.00 C ATOM 385 O CYS A 26 1.077 4.926 2.407 1.00 0.00 O ATOM 386 CB CYS A 26 2.895 5.352 0.020 1.00 0.00 C ATOM 387 SG CYS A 26 3.248 5.450 -1.754 1.00 0.00 S ATOM 0 H CYS A 26 2.529 7.256 1.710 1.00 0.00 H new ATOM 0 HA CYS A 26 0.940 6.109 -0.599 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.673 5.865 0.585 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.898 4.312 0.345 1.00 0.00 H new ATOM 392 N PHE A 27 -0.361 4.546 0.792 1.00 0.00 N ATOM 393 CA PHE A 27 -1.189 3.677 1.676 1.00 0.00 C ATOM 394 C PHE A 27 -1.182 2.233 1.170 1.00 0.00 C ATOM 395 O PHE A 27 -1.595 1.949 0.063 1.00 0.00 O ATOM 396 CB PHE A 27 -2.599 4.268 1.602 1.00 0.00 C ATOM 397 CG PHE A 27 -3.224 3.930 0.269 1.00 0.00 C ATOM 398 CD1 PHE A 27 -3.006 4.759 -0.839 1.00 0.00 C ATOM 399 CD2 PHE A 27 -4.025 2.788 0.140 1.00 0.00 C ATOM 400 CE1 PHE A 27 -3.589 4.447 -2.074 1.00 0.00 C ATOM 401 CE2 PHE A 27 -4.607 2.476 -1.094 1.00 0.00 C ATOM 402 CZ PHE A 27 -4.389 3.305 -2.201 1.00 0.00 C ATOM 0 H PHE A 27 -0.709 4.656 -0.161 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.809 3.650 2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.212 3.873 2.412 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.558 5.350 1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.388 5.639 -0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.194 2.148 0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.421 5.087 -2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.225 1.595 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.838 3.064 -3.153 1.00 0.00 H new ATOM 412 N LYS A 28 -0.719 1.317 1.975 1.00 0.00 N ATOM 413 CA LYS A 28 -0.691 -0.110 1.546 1.00 0.00 C ATOM 414 C LYS A 28 -2.003 -0.795 1.935 1.00 0.00 C ATOM 415 O LYS A 28 -2.386 -0.810 3.088 1.00 0.00 O ATOM 416 CB LYS A 28 0.486 -0.727 2.302 1.00 0.00 C ATOM 417 CG LYS A 28 0.522 -2.236 2.049 1.00 0.00 C ATOM 418 CD LYS A 28 -0.074 -2.969 3.254 1.00 0.00 C ATOM 419 CE LYS A 28 1.002 -3.147 4.326 1.00 0.00 C ATOM 420 NZ LYS A 28 1.508 -4.535 4.139 1.00 0.00 N ATOM 0 H LYS A 28 -0.358 1.495 2.912 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.580 -0.221 0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.421 -0.271 1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.390 -0.529 3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.041 -2.478 1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.548 -2.563 1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.914 -2.404 3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.461 -3.941 2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.802 -2.416 4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.590 -3.009 5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.251 -4.731 4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.726 -5.209 4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.901 -4.635 3.181 1.00 0.00 H new ATOM 434 N GLU A 29 -2.697 -1.358 0.985 1.00 0.00 N ATOM 435 CA GLU A 29 -3.986 -2.035 1.306 1.00 0.00 C ATOM 436 C GLU A 29 -3.887 -3.535 1.020 1.00 0.00 C ATOM 437 O GLU A 29 -3.661 -3.951 -0.100 1.00 0.00 O ATOM 438 CB GLU A 29 -5.017 -1.381 0.385 1.00 0.00 C ATOM 439 CG GLU A 29 -6.419 -1.586 0.963 1.00 0.00 C ATOM 440 CD GLU A 29 -7.170 -2.625 0.127 1.00 0.00 C ATOM 441 OE1 GLU A 29 -6.611 -3.684 -0.104 1.00 0.00 O ATOM 442 OE2 GLU A 29 -8.289 -2.343 -0.266 1.00 0.00 O ATOM 0 H GLU A 29 -2.428 -1.379 0.001 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.253 -1.932 2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.806 -0.316 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.956 -1.815 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.352 -1.917 1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.964 -0.642 0.965 1.00 0.00 H new ATOM 449 N SER A 30 -4.058 -4.350 2.023 1.00 0.00 N ATOM 450 CA SER A 30 -3.979 -5.823 1.809 1.00 0.00 C ATOM 451 C SER A 30 -5.370 -6.447 1.935 1.00 0.00 C ATOM 452 O SER A 30 -5.923 -6.541 3.014 1.00 0.00 O ATOM 453 CB SER A 30 -3.056 -6.333 2.915 1.00 0.00 C ATOM 454 OG SER A 30 -2.896 -7.741 2.782 1.00 0.00 O ATOM 0 H SER A 30 -4.249 -4.060 2.982 1.00 0.00 H new ATOM 0 HA SER A 30 -3.605 -6.080 0.818 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.087 -5.838 2.853 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.474 -6.094 3.893 1.00 0.00 H new ATOM 0 HG SER A 30 -2.303 -8.071 3.489 1.00 0.00 H new ATOM 460 N TRP A 31 -5.942 -6.870 0.840 1.00 0.00 N ATOM 461 CA TRP A 31 -7.299 -7.485 0.894 1.00 0.00 C ATOM 462 C TRP A 31 -7.201 -8.946 1.341 1.00 0.00 C ATOM 463 O TRP A 31 -6.502 -9.742 0.744 1.00 0.00 O ATOM 464 CB TRP A 31 -7.830 -7.395 -0.537 1.00 0.00 C ATOM 465 CG TRP A 31 -9.267 -6.978 -0.510 1.00 0.00 C ATOM 466 CD1 TRP A 31 -10.247 -7.615 0.170 1.00 0.00 C ATOM 467 CD2 TRP A 31 -9.899 -5.848 -1.178 1.00 0.00 C ATOM 468 NE1 TRP A 31 -11.441 -6.947 -0.037 1.00 0.00 N ATOM 469 CE2 TRP A 31 -11.278 -5.852 -0.861 1.00 0.00 C ATOM 470 CE3 TRP A 31 -9.415 -4.831 -2.020 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -12.146 -4.881 -1.362 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -10.286 -3.851 -2.525 1.00 0.00 C ATOM 473 CH2 TRP A 31 -11.649 -3.877 -2.197 1.00 0.00 C ATOM 0 H TRP A 31 -5.527 -6.816 -0.090 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.954 -6.981 1.604 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.243 -6.677 -1.110 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.729 -8.359 -1.035 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -10.119 -8.500 0.775 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -12.333 -7.229 0.370 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.367 -4.803 -2.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -13.195 -4.905 -1.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -9.904 -3.073 -3.169 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -12.314 -3.122 -2.589 1.00 0.00 H new ATOM 484 N ARG A 32 -7.898 -9.304 2.384 1.00 0.00 N ATOM 485 CA ARG A 32 -7.848 -10.713 2.868 1.00 0.00 C ATOM 486 C ARG A 32 -9.086 -11.478 2.390 1.00 0.00 C ATOM 487 O ARG A 32 -10.199 -11.178 2.776 1.00 0.00 O ATOM 488 CB ARG A 32 -7.839 -10.608 4.393 1.00 0.00 C ATOM 489 CG ARG A 32 -6.662 -11.406 4.955 1.00 0.00 C ATOM 490 CD ARG A 32 -6.863 -11.629 6.455 1.00 0.00 C ATOM 491 NE ARG A 32 -6.468 -13.045 6.690 1.00 0.00 N ATOM 492 CZ ARG A 32 -7.316 -14.008 6.451 1.00 0.00 C ATOM 493 NH1 ARG A 32 -8.203 -14.335 7.350 1.00 0.00 N ATOM 494 NH2 ARG A 32 -7.278 -14.643 5.312 1.00 0.00 N ATOM 0 H ARG A 32 -8.500 -8.682 2.923 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.977 -11.249 2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.761 -9.564 4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.776 -10.988 4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.581 -12.364 4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.729 -10.871 4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.249 -10.945 7.041 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.899 -11.455 6.745 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.534 -13.263 7.038 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.234 -13.838 8.240 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.865 -15.088 7.163 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.586 -14.387 4.608 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.941 -15.396 5.125 1.00 0.00 H new ATOM 508 N GLU A 33 -8.905 -12.459 1.549 1.00 0.00 N ATOM 509 CA GLU A 33 -10.075 -13.235 1.047 1.00 0.00 C ATOM 510 C GLU A 33 -9.984 -14.694 1.505 1.00 0.00 C ATOM 511 O GLU A 33 -9.159 -15.048 2.323 1.00 0.00 O ATOM 512 CB GLU A 33 -9.988 -13.143 -0.477 1.00 0.00 C ATOM 513 CG GLU A 33 -10.954 -12.068 -0.979 1.00 0.00 C ATOM 514 CD GLU A 33 -10.470 -11.536 -2.328 1.00 0.00 C ATOM 515 OE1 GLU A 33 -10.270 -12.341 -3.223 1.00 0.00 O ATOM 516 OE2 GLU A 33 -10.308 -10.333 -2.445 1.00 0.00 O ATOM 0 H GLU A 33 -7.999 -12.757 1.188 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.020 -12.845 1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.969 -12.902 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.234 -14.106 -0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.957 -12.483 -1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.016 -11.254 -0.257 1.00 0.00 H new ATOM 523 N ALA A 34 -10.828 -15.541 0.982 1.00 0.00 N ATOM 524 CA ALA A 34 -10.792 -16.976 1.388 1.00 0.00 C ATOM 525 C ALA A 34 -10.011 -17.799 0.360 1.00 0.00 C ATOM 526 O ALA A 34 -9.847 -18.995 0.504 1.00 0.00 O ATOM 527 CB ALA A 34 -12.258 -17.411 1.425 1.00 0.00 C ATOM 0 H ALA A 34 -11.540 -15.302 0.292 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.298 -17.122 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.319 -18.460 1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.800 -16.801 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.701 -17.283 0.437 1.00 0.00 H new ATOM 533 N ARG A 35 -9.530 -17.170 -0.678 1.00 0.00 N ATOM 534 CA ARG A 35 -8.762 -17.917 -1.713 1.00 0.00 C ATOM 535 C ARG A 35 -7.329 -17.384 -1.800 1.00 0.00 C ATOM 536 O ARG A 35 -6.422 -18.077 -2.216 1.00 0.00 O ATOM 537 CB ARG A 35 -9.508 -17.663 -3.024 1.00 0.00 C ATOM 538 CG ARG A 35 -9.875 -16.181 -3.128 1.00 0.00 C ATOM 539 CD ARG A 35 -10.448 -15.894 -4.518 1.00 0.00 C ATOM 540 NE ARG A 35 -10.115 -14.467 -4.782 1.00 0.00 N ATOM 541 CZ ARG A 35 -10.606 -13.866 -5.832 1.00 0.00 C ATOM 542 NH1 ARG A 35 -10.561 -14.451 -6.997 1.00 0.00 N ATOM 543 NH2 ARG A 35 -11.143 -12.683 -5.715 1.00 0.00 N ATOM 0 H ARG A 35 -9.636 -16.171 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.691 -18.980 -1.484 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.886 -17.954 -3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.409 -18.275 -3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.605 -15.921 -2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.994 -15.564 -2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.007 -16.548 -5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.525 -16.060 -4.543 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.504 -13.959 -4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.143 -15.377 -7.087 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.944 -13.983 -7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.179 -12.227 -4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.527 -12.214 -6.535 1.00 0.00 H new ATOM 557 N GLY A 36 -7.118 -16.155 -1.412 1.00 0.00 N ATOM 558 CA GLY A 36 -5.745 -15.582 -1.474 1.00 0.00 C ATOM 559 C GLY A 36 -5.805 -14.075 -1.214 1.00 0.00 C ATOM 560 O GLY A 36 -6.490 -13.344 -1.902 1.00 0.00 O ATOM 0 H GLY A 36 -7.837 -15.525 -1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.105 -16.064 -0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.303 -15.775 -2.452 1.00 0.00 H new ATOM 564 N THR A 37 -5.093 -13.606 -0.227 1.00 0.00 N ATOM 565 CA THR A 37 -5.110 -12.145 0.073 1.00 0.00 C ATOM 566 C THR A 37 -4.186 -11.399 -0.893 1.00 0.00 C ATOM 567 O THR A 37 -3.160 -11.906 -1.301 1.00 0.00 O ATOM 568 CB THR A 37 -4.594 -12.029 1.509 1.00 0.00 C ATOM 569 OG1 THR A 37 -4.726 -10.684 1.949 1.00 0.00 O ATOM 570 CG2 THR A 37 -3.123 -12.443 1.560 1.00 0.00 C ATOM 0 H THR A 37 -4.501 -14.169 0.384 1.00 0.00 H new ATOM 0 HA THR A 37 -6.104 -11.711 -0.038 1.00 0.00 H new ATOM 0 HB THR A 37 -5.175 -12.684 2.159 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.116 -10.142 1.232 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.757 -12.360 2.583 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.023 -13.474 1.222 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.539 -11.790 0.911 1.00 0.00 H new ATOM 578 N ARG A 38 -4.542 -10.199 -1.262 1.00 0.00 N ATOM 579 CA ARG A 38 -3.682 -9.425 -2.204 1.00 0.00 C ATOM 580 C ARG A 38 -3.267 -8.095 -1.571 1.00 0.00 C ATOM 581 O ARG A 38 -3.796 -7.689 -0.555 1.00 0.00 O ATOM 582 CB ARG A 38 -4.559 -9.184 -3.433 1.00 0.00 C ATOM 583 CG ARG A 38 -4.226 -10.218 -4.510 1.00 0.00 C ATOM 584 CD ARG A 38 -5.334 -10.229 -5.567 1.00 0.00 C ATOM 585 NE ARG A 38 -6.039 -11.526 -5.369 1.00 0.00 N ATOM 586 CZ ARG A 38 -6.020 -12.429 -6.311 1.00 0.00 C ATOM 587 NH1 ARG A 38 -6.189 -12.080 -7.557 1.00 0.00 N ATOM 588 NH2 ARG A 38 -5.831 -13.684 -6.006 1.00 0.00 N ATOM 0 H ARG A 38 -5.389 -9.721 -0.953 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.764 -9.956 -2.456 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.612 -9.254 -3.160 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.395 -8.177 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.269 -9.980 -4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.126 -11.207 -4.062 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.013 -9.386 -5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.921 -10.153 -6.573 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.536 -11.708 -4.497 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.336 -11.100 -7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.174 -12.788 -8.291 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.698 -13.958 -5.032 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.816 -14.391 -6.741 1.00 0.00 H new ATOM 602 N ILE A 39 -2.325 -7.412 -2.162 1.00 0.00 N ATOM 603 CA ILE A 39 -1.880 -6.108 -1.590 1.00 0.00 C ATOM 604 C ILE A 39 -1.643 -5.092 -2.710 1.00 0.00 C ATOM 605 O ILE A 39 -1.133 -5.421 -3.764 1.00 0.00 O ATOM 606 CB ILE A 39 -0.571 -6.418 -0.864 1.00 0.00 C ATOM 607 CG1 ILE A 39 -0.856 -7.325 0.335 1.00 0.00 C ATOM 608 CG2 ILE A 39 0.062 -5.114 -0.375 1.00 0.00 C ATOM 609 CD1 ILE A 39 -0.086 -8.636 0.173 1.00 0.00 C ATOM 0 H ILE A 39 -1.845 -7.699 -3.015 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.625 -5.676 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 39 0.113 -6.921 -1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.560 -6.828 1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.925 -7.525 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.995 -5.334 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.264 -4.466 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.622 -4.611 0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.287 -9.284 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.403 -9.133 -0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.982 -8.426 0.121 1.00 0.00 H new ATOM 621 N GLU A 40 -2.007 -3.858 -2.490 1.00 0.00 N ATOM 622 CA GLU A 40 -1.801 -2.821 -3.540 1.00 0.00 C ATOM 623 C GLU A 40 -1.331 -1.511 -2.900 1.00 0.00 C ATOM 624 O GLU A 40 -1.780 -1.133 -1.837 1.00 0.00 O ATOM 625 CB GLU A 40 -3.172 -2.638 -4.193 1.00 0.00 C ATOM 626 CG GLU A 40 -3.002 -1.957 -5.552 1.00 0.00 C ATOM 627 CD GLU A 40 -3.439 -2.916 -6.661 1.00 0.00 C ATOM 628 OE1 GLU A 40 -4.354 -3.689 -6.423 1.00 0.00 O ATOM 629 OE2 GLU A 40 -2.852 -2.861 -7.729 1.00 0.00 O ATOM 0 H GLU A 40 -2.438 -3.523 -1.628 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.042 -3.112 -4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.660 -3.605 -4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.815 -2.037 -3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.597 -1.044 -5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.962 -1.666 -5.697 1.00 0.00 H new ATOM 636 N ARG A 41 -0.428 -0.818 -3.539 1.00 0.00 N ATOM 637 CA ARG A 41 0.071 0.464 -2.963 1.00 0.00 C ATOM 638 C ARG A 41 -0.306 1.636 -3.876 1.00 0.00 C ATOM 639 O ARG A 41 -1.148 1.513 -4.743 1.00 0.00 O ATOM 640 CB ARG A 41 1.590 0.303 -2.896 1.00 0.00 C ATOM 641 CG ARG A 41 2.112 0.893 -1.585 1.00 0.00 C ATOM 642 CD ARG A 41 3.633 1.045 -1.662 1.00 0.00 C ATOM 643 NE ARG A 41 4.055 1.407 -0.281 1.00 0.00 N ATOM 644 CZ ARG A 41 5.164 0.923 0.211 1.00 0.00 C ATOM 645 NH1 ARG A 41 6.272 1.004 -0.476 1.00 0.00 N ATOM 646 NH2 ARG A 41 5.164 0.359 1.387 1.00 0.00 N ATOM 0 H ARG A 41 -0.015 -1.083 -4.433 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.360 0.673 -1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.857 -0.752 -2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.057 0.805 -3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.648 1.862 -1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.843 0.246 -0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.106 0.119 -1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.917 1.818 -2.377 1.00 0.00 H new ATOM 0 HE ARG A 41 3.478 2.033 0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.271 1.445 -1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.139 0.626 -0.093 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.298 0.296 1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.030 -0.019 1.771 1.00 0.00 H new ATOM 660 N GLY A 42 0.312 2.770 -3.685 1.00 0.00 N ATOM 661 CA GLY A 42 -0.010 3.947 -4.541 1.00 0.00 C ATOM 662 C GLY A 42 0.155 5.231 -3.725 1.00 0.00 C ATOM 663 O GLY A 42 -0.289 5.323 -2.599 1.00 0.00 O ATOM 0 H GLY A 42 1.025 2.932 -2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.647 3.969 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.031 3.870 -4.915 1.00 0.00 H new ATOM 667 N CYS A 43 0.791 6.224 -4.284 1.00 0.00 N ATOM 668 CA CYS A 43 0.984 7.500 -3.539 1.00 0.00 C ATOM 669 C CYS A 43 -0.236 8.409 -3.720 1.00 0.00 C ATOM 670 O CYS A 43 -0.475 8.935 -4.788 1.00 0.00 O ATOM 671 CB CYS A 43 2.226 8.139 -4.161 1.00 0.00 C ATOM 672 SG CYS A 43 2.370 9.854 -3.601 1.00 0.00 S ATOM 0 H CYS A 43 1.185 6.207 -5.225 1.00 0.00 H new ATOM 0 HA CYS A 43 1.103 7.338 -2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.117 7.577 -3.879 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.159 8.105 -5.248 1.00 0.00 H new ATOM 677 N ALA A 44 -1.008 8.594 -2.685 1.00 0.00 N ATOM 678 CA ALA A 44 -2.212 9.467 -2.799 1.00 0.00 C ATOM 679 C ALA A 44 -2.619 9.989 -1.418 1.00 0.00 C ATOM 680 O ALA A 44 -1.803 10.116 -0.527 1.00 0.00 O ATOM 681 CB ALA A 44 -3.303 8.563 -3.375 1.00 0.00 C ATOM 0 H ALA A 44 -0.858 8.179 -1.765 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.033 10.339 -3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.225 9.133 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.987 8.185 -4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.476 7.726 -2.699 1.00 0.00 H new ATOM 687 N ALA A 45 -3.875 10.290 -1.234 1.00 0.00 N ATOM 688 CA ALA A 45 -4.333 10.803 0.090 1.00 0.00 C ATOM 689 C ALA A 45 -5.637 10.113 0.500 1.00 0.00 C ATOM 690 O ALA A 45 -6.346 10.573 1.372 1.00 0.00 O ATOM 691 CB ALA A 45 -4.561 12.299 -0.121 1.00 0.00 C ATOM 0 H ALA A 45 -4.604 10.203 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.609 10.610 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.901 12.750 0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.628 12.769 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.317 12.447 -0.892 1.00 0.00 H new ATOM 697 N THR A 46 -5.955 9.013 -0.124 1.00 0.00 N ATOM 698 CA THR A 46 -7.211 8.293 0.227 1.00 0.00 C ATOM 699 C THR A 46 -7.068 7.619 1.594 1.00 0.00 C ATOM 700 O THR A 46 -7.903 7.772 2.463 1.00 0.00 O ATOM 701 CB THR A 46 -7.389 7.243 -0.872 1.00 0.00 C ATOM 702 OG1 THR A 46 -6.557 7.569 -1.977 1.00 0.00 O ATOM 703 CG2 THR A 46 -8.850 7.215 -1.323 1.00 0.00 C ATOM 0 H THR A 46 -5.399 8.581 -0.862 1.00 0.00 H new ATOM 0 HA THR A 46 -8.067 8.964 0.290 1.00 0.00 H new ATOM 0 HB THR A 46 -7.112 6.263 -0.485 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.669 6.896 -2.681 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.975 6.467 -2.106 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.488 6.964 -0.475 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.130 8.195 -1.710 1.00 0.00 H new ATOM 711 N CYS A 47 -6.016 6.873 1.790 1.00 0.00 N ATOM 712 CA CYS A 47 -5.822 6.189 3.101 1.00 0.00 C ATOM 713 C CYS A 47 -7.144 5.580 3.577 1.00 0.00 C ATOM 714 O CYS A 47 -7.712 6.019 4.557 1.00 0.00 O ATOM 715 CB CYS A 47 -5.360 7.288 4.057 1.00 0.00 C ATOM 716 SG CYS A 47 -4.584 6.537 5.510 1.00 0.00 S ATOM 0 H CYS A 47 -5.283 6.707 1.101 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.100 5.374 3.041 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.653 7.948 3.555 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.209 7.901 4.361 1.00 0.00 H new ATOM 721 N PRO A 48 -7.588 4.586 2.858 1.00 0.00 N ATOM 722 CA PRO A 48 -8.859 3.903 3.202 1.00 0.00 C ATOM 723 C PRO A 48 -8.683 3.036 4.452 1.00 0.00 C ATOM 724 O PRO A 48 -7.658 3.069 5.104 1.00 0.00 O ATOM 725 CB PRO A 48 -9.144 3.040 1.975 1.00 0.00 C ATOM 726 CG PRO A 48 -7.808 2.812 1.343 1.00 0.00 C ATOM 727 CD PRO A 48 -6.953 4.008 1.669 1.00 0.00 C ATOM 0 HA PRO A 48 -9.670 4.596 3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.614 2.097 2.256 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.825 3.543 1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.353 1.898 1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.908 2.693 0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.921 3.718 1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.930 4.719 0.843 1.00 0.00 H new ATOM 735 N LYS A 49 -9.677 2.262 4.791 1.00 0.00 N ATOM 736 CA LYS A 49 -9.568 1.393 5.998 1.00 0.00 C ATOM 737 C LYS A 49 -10.180 0.019 5.714 1.00 0.00 C ATOM 738 O LYS A 49 -10.376 -0.361 4.577 1.00 0.00 O ATOM 739 CB LYS A 49 -10.362 2.121 7.083 1.00 0.00 C ATOM 740 CG LYS A 49 -9.496 3.224 7.694 1.00 0.00 C ATOM 741 CD LYS A 49 -10.357 4.110 8.596 1.00 0.00 C ATOM 742 CE LYS A 49 -9.771 5.523 8.631 1.00 0.00 C ATOM 743 NZ LYS A 49 -10.421 6.178 9.800 1.00 0.00 N ATOM 0 H LYS A 49 -10.560 2.193 4.285 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.533 1.225 6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.270 2.550 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.672 1.417 7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.681 2.784 8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.042 3.823 6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.382 4.139 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.394 3.695 9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.687 5.499 8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.983 6.062 7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.070 7.153 9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.452 6.192 9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.196 5.647 10.665 1.00 0.00 H new ATOM 757 N GLY A 50 -10.483 -0.732 6.738 1.00 0.00 N ATOM 758 CA GLY A 50 -11.080 -2.079 6.520 1.00 0.00 C ATOM 759 C GLY A 50 -11.709 -2.577 7.821 1.00 0.00 C ATOM 760 O GLY A 50 -11.989 -1.812 8.722 1.00 0.00 O ATOM 0 H GLY A 50 -10.343 -0.471 7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.834 -2.031 5.735 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.314 -2.778 6.184 1.00 0.00 H new ATOM 764 N SER A 51 -11.935 -3.858 7.924 1.00 0.00 N ATOM 765 CA SER A 51 -12.547 -4.411 9.167 1.00 0.00 C ATOM 766 C SER A 51 -12.383 -5.931 9.198 1.00 0.00 C ATOM 767 O SER A 51 -11.427 -6.473 8.681 1.00 0.00 O ATOM 768 CB SER A 51 -14.025 -4.031 9.082 1.00 0.00 C ATOM 769 OG SER A 51 -14.644 -4.783 8.047 1.00 0.00 O ATOM 0 H SER A 51 -11.723 -4.546 7.202 1.00 0.00 H new ATOM 0 HA SER A 51 -12.079 -4.021 10.071 1.00 0.00 H new ATOM 0 HB2 SER A 51 -14.518 -4.227 10.034 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.127 -2.964 8.883 1.00 0.00 H new ATOM 0 HG SER A 51 -15.593 -4.543 7.991 1.00 0.00 H new ATOM 775 N VAL A 52 -13.311 -6.626 9.798 1.00 0.00 N ATOM 776 CA VAL A 52 -13.204 -8.110 9.857 1.00 0.00 C ATOM 777 C VAL A 52 -13.143 -8.689 8.440 1.00 0.00 C ATOM 778 O VAL A 52 -12.720 -9.810 8.234 1.00 0.00 O ATOM 779 CB VAL A 52 -14.472 -8.571 10.576 1.00 0.00 C ATOM 780 CG1 VAL A 52 -15.670 -8.457 9.630 1.00 0.00 C ATOM 781 CG2 VAL A 52 -14.307 -10.027 11.016 1.00 0.00 C ATOM 0 H VAL A 52 -14.136 -6.231 10.249 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.303 -8.442 10.374 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.641 -7.942 11.450 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -16.573 -8.786 10.145 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -15.789 -7.420 9.317 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -15.503 -9.084 8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -15.211 -10.357 11.529 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.137 -10.654 10.141 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.456 -10.109 11.692 1.00 0.00 H new ATOM 791 N TYR A 53 -13.561 -7.932 7.462 1.00 0.00 N ATOM 792 CA TYR A 53 -13.524 -8.438 6.060 1.00 0.00 C ATOM 793 C TYR A 53 -12.097 -8.842 5.683 1.00 0.00 C ATOM 794 O TYR A 53 -11.853 -9.937 5.215 1.00 0.00 O ATOM 795 CB TYR A 53 -13.992 -7.262 5.202 1.00 0.00 C ATOM 796 CG TYR A 53 -15.025 -7.739 4.209 1.00 0.00 C ATOM 797 CD1 TYR A 53 -16.177 -8.396 4.658 1.00 0.00 C ATOM 798 CD2 TYR A 53 -14.831 -7.523 2.840 1.00 0.00 C ATOM 799 CE1 TYR A 53 -17.135 -8.836 3.738 1.00 0.00 C ATOM 800 CE2 TYR A 53 -15.790 -7.963 1.919 1.00 0.00 C ATOM 801 CZ TYR A 53 -16.942 -8.620 2.368 1.00 0.00 C ATOM 802 OH TYR A 53 -17.887 -9.054 1.461 1.00 0.00 O ATOM 0 H TYR A 53 -13.926 -6.986 7.573 1.00 0.00 H new ATOM 0 HA TYR A 53 -14.151 -9.319 5.921 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -14.415 -6.482 5.835 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -13.144 -6.822 4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -16.326 -8.563 5.715 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -13.942 -7.017 2.494 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -18.024 -9.342 4.085 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -15.641 -7.796 0.863 1.00 0.00 H new ATOM 0 HH TYR A 53 -17.599 -8.823 0.553 1.00 0.00 H new ATOM 812 N GLY A 54 -11.150 -7.966 5.885 1.00 0.00 N ATOM 813 CA GLY A 54 -9.740 -8.301 5.539 1.00 0.00 C ATOM 814 C GLY A 54 -9.139 -7.173 4.700 1.00 0.00 C ATOM 815 O GLY A 54 -8.904 -7.323 3.518 1.00 0.00 O ATOM 0 H GLY A 54 -11.292 -7.034 6.274 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.155 -8.444 6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.703 -9.239 4.986 1.00 0.00 H new ATOM 819 N LEU A 55 -8.887 -6.044 5.303 1.00 0.00 N ATOM 820 CA LEU A 55 -8.300 -4.906 4.540 1.00 0.00 C ATOM 821 C LEU A 55 -7.235 -4.201 5.385 1.00 0.00 C ATOM 822 O LEU A 55 -7.542 -3.390 6.236 1.00 0.00 O ATOM 823 CB LEU A 55 -9.475 -3.969 4.261 1.00 0.00 C ATOM 824 CG LEU A 55 -9.697 -3.862 2.751 1.00 0.00 C ATOM 825 CD1 LEU A 55 -10.193 -5.204 2.210 1.00 0.00 C ATOM 826 CD2 LEU A 55 -10.742 -2.781 2.466 1.00 0.00 C ATOM 0 H LEU A 55 -9.062 -5.860 6.291 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.812 -5.229 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.376 -4.345 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.275 -2.983 4.680 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.758 -3.600 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.351 -5.127 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.450 -5.975 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.132 -5.468 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.901 -2.703 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.680 -3.045 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.390 -1.824 2.850 1.00 0.00 H new ATOM 838 N TYR A 56 -5.986 -4.506 5.160 1.00 0.00 N ATOM 839 CA TYR A 56 -4.904 -3.856 5.952 1.00 0.00 C ATOM 840 C TYR A 56 -4.449 -2.563 5.269 1.00 0.00 C ATOM 841 O TYR A 56 -3.777 -2.589 4.257 1.00 0.00 O ATOM 842 CB TYR A 56 -3.766 -4.876 5.980 1.00 0.00 C ATOM 843 CG TYR A 56 -3.159 -4.918 7.363 1.00 0.00 C ATOM 844 CD1 TYR A 56 -3.059 -3.744 8.119 1.00 0.00 C ATOM 845 CD2 TYR A 56 -2.696 -6.130 7.887 1.00 0.00 C ATOM 846 CE1 TYR A 56 -2.497 -3.782 9.400 1.00 0.00 C ATOM 847 CE2 TYR A 56 -2.133 -6.169 9.168 1.00 0.00 C ATOM 848 CZ TYR A 56 -2.034 -4.995 9.924 1.00 0.00 C ATOM 849 OH TYR A 56 -1.478 -5.033 11.187 1.00 0.00 O ATOM 0 H TYR A 56 -5.668 -5.178 4.461 1.00 0.00 H new ATOM 0 HA TYR A 56 -5.234 -3.585 6.955 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.141 -5.862 5.706 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.006 -4.609 5.246 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.416 -2.809 7.713 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.773 -7.035 7.303 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.420 -2.877 9.984 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.775 -7.104 9.573 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.209 -5.951 11.399 1.00 0.00 H new ATOM 859 N VAL A 57 -4.809 -1.434 5.815 1.00 0.00 N ATOM 860 CA VAL A 57 -4.395 -0.142 5.195 1.00 0.00 C ATOM 861 C VAL A 57 -3.240 0.479 5.986 1.00 0.00 C ATOM 862 O VAL A 57 -3.302 0.612 7.192 1.00 0.00 O ATOM 863 CB VAL A 57 -5.632 0.750 5.273 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.267 2.167 4.824 1.00 0.00 C ATOM 865 CG2 VAL A 57 -6.723 0.192 4.355 1.00 0.00 C ATOM 0 H VAL A 57 -5.371 -1.349 6.662 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.047 -0.271 4.170 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.997 0.775 6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.149 2.805 4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.489 2.566 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.902 2.141 3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.606 0.829 4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.357 0.168 3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.983 -0.818 4.672 1.00 0.00 H new ATOM 875 N LEU A 58 -2.186 0.858 5.316 1.00 0.00 N ATOM 876 CA LEU A 58 -1.030 1.469 6.033 1.00 0.00 C ATOM 877 C LEU A 58 -0.532 2.706 5.280 1.00 0.00 C ATOM 878 O LEU A 58 0.187 2.606 4.306 1.00 0.00 O ATOM 879 CB LEU A 58 0.046 0.381 6.050 1.00 0.00 C ATOM 880 CG LEU A 58 0.633 0.266 7.458 1.00 0.00 C ATOM 881 CD1 LEU A 58 1.371 -1.067 7.597 1.00 0.00 C ATOM 882 CD2 LEU A 58 1.614 1.416 7.694 1.00 0.00 C ATOM 0 H LEU A 58 -2.075 0.771 4.306 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.295 1.796 7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.382 -0.574 5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.833 0.621 5.335 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.171 0.314 8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.789 -1.149 8.600 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.675 -1.888 7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.176 -1.116 6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.034 1.336 8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.418 1.365 6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.091 2.367 7.594 1.00 0.00 H new ATOM 894 N CYS A 59 -0.908 3.874 5.726 1.00 0.00 N ATOM 895 CA CYS A 59 -0.455 5.117 5.038 1.00 0.00 C ATOM 896 C CYS A 59 0.826 5.644 5.690 1.00 0.00 C ATOM 897 O CYS A 59 0.882 5.849 6.886 1.00 0.00 O ATOM 898 CB CYS A 59 -1.601 6.112 5.221 1.00 0.00 C ATOM 899 SG CYS A 59 -3.161 5.326 4.742 1.00 0.00 S ATOM 0 H CYS A 59 -1.509 4.021 6.537 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.228 4.948 3.985 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.650 6.440 6.259 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.427 7.000 4.614 1.00 0.00 H new ATOM 904 N CYS A 60 1.855 5.863 4.917 1.00 0.00 N ATOM 905 CA CYS A 60 3.130 6.375 5.505 1.00 0.00 C ATOM 906 C CYS A 60 3.649 7.556 4.681 1.00 0.00 C ATOM 907 O CYS A 60 3.276 7.742 3.539 1.00 0.00 O ATOM 908 CB CYS A 60 4.137 5.214 5.444 1.00 0.00 C ATOM 909 SG CYS A 60 3.299 3.611 5.581 1.00 0.00 S ATOM 0 H CYS A 60 1.870 5.711 3.908 1.00 0.00 H new ATOM 0 HA CYS A 60 2.982 6.718 6.529 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.691 5.259 4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.864 5.317 6.249 1.00 0.00 H new ATOM 914 N THR A 61 4.514 8.349 5.252 1.00 0.00 N ATOM 915 CA THR A 61 5.066 9.514 4.512 1.00 0.00 C ATOM 916 C THR A 61 6.483 9.827 5.003 1.00 0.00 C ATOM 917 O THR A 61 6.760 10.911 5.475 1.00 0.00 O ATOM 918 CB THR A 61 4.119 10.671 4.828 1.00 0.00 C ATOM 919 OG1 THR A 61 4.613 11.861 4.230 1.00 0.00 O ATOM 920 CG2 THR A 61 4.027 10.857 6.343 1.00 0.00 C ATOM 0 H THR A 61 4.862 8.238 6.204 1.00 0.00 H new ATOM 0 HA THR A 61 5.135 9.328 3.440 1.00 0.00 H new ATOM 0 HB THR A 61 3.128 10.450 4.432 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.496 12.071 4.600 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.351 11.682 6.568 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.648 9.943 6.799 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.016 11.079 6.743 1.00 0.00 H new ATOM 928 N THR A 62 7.383 8.885 4.896 1.00 0.00 N ATOM 929 CA THR A 62 8.778 9.132 5.360 1.00 0.00 C ATOM 930 C THR A 62 9.775 8.392 4.463 1.00 0.00 C ATOM 931 O THR A 62 10.547 8.999 3.748 1.00 0.00 O ATOM 932 CB THR A 62 8.825 8.580 6.785 1.00 0.00 C ATOM 933 OG1 THR A 62 7.517 8.596 7.341 1.00 0.00 O ATOM 934 CG2 THR A 62 9.754 9.443 7.639 1.00 0.00 C ATOM 0 H THR A 62 7.212 7.957 4.508 1.00 0.00 H new ATOM 0 HA THR A 62 9.044 10.188 5.323 1.00 0.00 H new ATOM 0 HB THR A 62 9.200 7.557 6.766 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.545 8.241 8.254 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.786 9.048 8.654 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.757 9.430 7.213 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.382 10.467 7.660 1.00 0.00 H new ATOM 942 N ASP A 63 9.768 7.087 4.496 1.00 0.00 N ATOM 943 CA ASP A 63 10.719 6.312 3.646 1.00 0.00 C ATOM 944 C ASP A 63 10.046 5.041 3.118 1.00 0.00 C ATOM 945 O ASP A 63 9.273 4.408 3.808 1.00 0.00 O ATOM 946 CB ASP A 63 11.880 5.959 4.575 1.00 0.00 C ATOM 947 CG ASP A 63 13.109 5.592 3.740 1.00 0.00 C ATOM 948 OD1 ASP A 63 13.031 5.702 2.527 1.00 0.00 O ATOM 949 OD2 ASP A 63 14.107 5.208 4.328 1.00 0.00 O ATOM 0 H ASP A 63 9.145 6.523 5.075 1.00 0.00 H new ATOM 0 HA ASP A 63 11.050 6.878 2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.108 6.803 5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.603 5.125 5.220 1.00 0.00 H new ATOM 954 N ASP A 64 10.341 4.664 1.901 1.00 0.00 N ATOM 955 CA ASP A 64 9.722 3.430 1.313 1.00 0.00 C ATOM 956 C ASP A 64 8.186 3.520 1.325 1.00 0.00 C ATOM 957 O ASP A 64 7.569 3.715 0.298 1.00 0.00 O ATOM 958 CB ASP A 64 10.197 2.283 2.207 1.00 0.00 C ATOM 959 CG ASP A 64 11.679 2.008 1.943 1.00 0.00 C ATOM 960 OD1 ASP A 64 12.397 2.955 1.671 1.00 0.00 O ATOM 961 OD2 ASP A 64 12.069 0.855 2.017 1.00 0.00 O ATOM 0 H ASP A 64 10.986 5.157 1.284 1.00 0.00 H new ATOM 0 HA ASP A 64 10.013 3.291 0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.045 2.539 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.609 1.387 2.009 1.00 0.00 H new ATOM 966 N CYS A 65 7.561 3.391 2.470 1.00 0.00 N ATOM 967 CA CYS A 65 6.075 3.484 2.516 1.00 0.00 C ATOM 968 C CYS A 65 5.645 4.950 2.420 1.00 0.00 C ATOM 969 O CYS A 65 4.471 5.265 2.410 1.00 0.00 O ATOM 970 CB CYS A 65 5.687 2.894 3.873 1.00 0.00 C ATOM 971 SG CYS A 65 3.899 2.613 3.931 1.00 0.00 S ATOM 0 H CYS A 65 8.016 3.226 3.368 1.00 0.00 H new ATOM 0 HA CYS A 65 5.595 2.955 1.693 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.217 1.956 4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.984 3.572 4.673 1.00 0.00 H new ATOM 976 N ASN A 66 6.589 5.851 2.352 1.00 0.00 N ATOM 977 CA ASN A 66 6.240 7.297 2.260 1.00 0.00 C ATOM 978 C ASN A 66 5.198 7.526 1.163 1.00 0.00 C ATOM 979 O ASN A 66 4.238 8.232 1.423 1.00 0.00 O ATOM 980 CB ASN A 66 7.553 8.003 1.908 1.00 0.00 C ATOM 981 CG ASN A 66 8.279 7.219 0.815 1.00 0.00 C ATOM 982 OD1 ASN A 66 7.657 6.537 0.026 1.00 0.00 O ATOM 983 ND2 ASN A 66 9.580 7.286 0.738 1.00 0.00 N ATOM 984 OXT ASN A 66 5.377 6.991 0.081 1.00 0.00 O ATOM 0 H ASN A 66 7.588 5.646 2.356 1.00 0.00 H new ATOM 0 HA ASN A 66 5.810 7.674 3.188 1.00 0.00 H new ATOM 0 HB2 ASN A 66 7.352 9.019 1.568 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.184 8.082 2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.076 6.765 0.014 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.101 7.859 1.401 1.00 0.00 H new TER 991 ASN A 66